Chemoinformaics analysis of SONGORAMINE
Molecular Weight | 355.478 | nRot | 1 |
Heavy Atom Molecular Weight | 326.246 | nRig | 28 |
Exact Molecular Weight | 355.215 | nRing | 9 |
Solubility: LogS | -3.693 | nHRing | 4 |
Solubility: LogP | 2.009 | No. of Aliphatic Rings | 9 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 5 |
Atoms Count | 55 | No. of Aliphatic Hetero Cycles | 4 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 9 | No. Saturated Carbocycles | 5 |
No. of Hydrogen atom | 29 | No. of Saturated Hetero Cycles | 4 |
No. of Carbon atom | 22 | No. of Saturated Rings | 9 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 59.583 |
nHD | 1 | BPOL | 33.407 |
QED | 0.725 |
Synth | 7.812 |
Natural Product Likeliness | 2.988 |
NR-PPAR-gamma | 0.014 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.155 |
Pgp-sub | 0.001 |
HIA | 0.018 |
CACO-2 | -4.892 |
MDCK | 0.0000257 |
BBB | 0.937 |
PPB | 0.608765 |
VDSS | 1.661 |
FU | 0.481217 |
CYP1A2-inh | 0.015 |
CYP1A2-sub | 0.927 |
CYP2c19-inh | 0.022 |
CYP2c19-sub | 0.94 |
CYP2c9-inh | 0.015 |
CYP2c9-sub | 0.092 |
CYP2d6-inh | 0.013 |
CYP2d6-sub | 0.745 |
CYP3a4-inh | 0.143 |
CYP3a4-sub | 0.638 |
CL | 22.505 |
T12 | 0.138 |
hERG | 0.012 |
Ames | 0.011 |
ROA | 0.865 |
SkinSen | 0.012 |
Carcinogencity | 0.212 |
EI | 0.009 |
Respiratory | 0.962 |
NR-Aromatase | 0.005 |
Antiviral | Yes |
Prediction | 0.740513 |